(2-methylsulfanylphenyl)methanimine

C8H9NS — CID 88561931

IUPAC(2-methylsulfanylphenyl)methanimine
SMILES[H]/N=C/c1ccccc1SC
InChIInChI=1S/C8H9NS/c1-10-8-5-3-2-4-7(8)6-9/h2-6,9H,1H3/b9-6+
InChIKeyAESHJUKCNDSAFY-RMKNXTFCSA-N
MW151.23 g/mol
LogP2.41
Rot. Bonds2

About (2-methylsulfanylphenyl)methanimine

(2-methylsulfanylphenyl)methanimine (PubChem CID 88561931) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)methanimine
PubChem CID88561931
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(2-methylsulfanylphenyl)methanimine
SMILES[H]/N=C/c1ccccc1SC
InChIInChI=1S/C8H9NS/c1-10-8-5-3-2-4-7(8)6-9/h2-6,9H,1H3/b9-6+
InChIKeyAESHJUKCNDSAFY-RMKNXTFCSA-N
XLogP2.41
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)methanimine?
The IUPAC name of (2-methylsulfanylphenyl)methanimine (CID 88561931) is (2-methylsulfanylphenyl)methanimine.
What is the SMILES notation for (2-methylsulfanylphenyl)methanimine?
The canonical SMILES for (2-methylsulfanylphenyl)methanimine is [H]/N=C/c1ccccc1SC.
What is the InChIKey of (2-methylsulfanylphenyl)methanimine?
The InChIKey is AESHJUKCNDSAFY-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H9NS/c1-10-8-5-3-2-4-7(8)6-9/h2-6,9H,1H3/b9-6+.
What are the key properties of (2-methylsulfanylphenyl)methanimine?
(2-methylsulfanylphenyl)methanimine has a molecular weight of 151.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 88561931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).